NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2325 8.1744 117.3777 63.3980 70.2440 172.8305 8 D 4.5142 8.3146 124.3621 50.4977 41.6308 174.7403 9 P 4.4163 0.0000 0.0000 65.7488 32.3150 177.1359 10 R 4.1855 8.0225 115.1666 56.8251 30.6447 176.5633 11 A 4.2223 7.4760 120.0313 50.9489 19.0444 176.9911 12 K 3.8595 8.5918 120.6089 56.5615 32.6563 176.1184 13 W 4.3334 8.8086 135.0000 56.9748 31.4178 175.4707 14 V 4.0798 7.2416 124.2820 59.8467 32.5168 173.3976 15 P 3.9947 0.0000 0.0000 62.4883 32.0289 175.5098 16 Q 4.7433 8.7741 117.7820 54.6337 31.4688 174.6283 17 D 5.6097 8.6322 116.5386 54.4845 41.7792 175.9051 18 N 4.9157 8.3737 113.8263 52.2531 39.0762 173.8459 19 D 4.2999 7.7849 118.9051 53.5738 42.4103 175.3286 20 I 2.9652 7.9485 121.0910 62.6293 37.9773 176.8713 21 Q 4.1700 7.9345 118.2406 56.5387 29.3140 175.6923 22 A 4.6142 7.5728 122.2953 51.0645 19.9360 177.8944 23 C 4.7059 8.9006 118.2622 59.1443 40.8622 174.3426 24 D 4.9118 8.1311 118.6378 52.8869 39.5336 175.3432 25 Y 4.7477 8.0711 122.2193 57.5528 39.7210 176.8886 26 W 4.5218 8.2269 124.5808 59.8241 28.1681 178.3774 27 R 3.4226 5.8400 115.5414 57.8435 29.7211 176.4967 28 H 5.1606 8.4558 116.2854 55.7583 29.0633 174.7246 29 C 2.8045 7.9106 117.1932 57.6004 41.3936 174.1425 30 S 4.4288 7.9975 114.8920 57.4880 62.6524 174.1266 31 I 3.3184 7.4037 118.5795 60.3979 38.8717 174.1025 32 D 4.7384 9.3720 127.5583 54.8337 44.0310 172.6790 33 G 4.1177 7.6680 119.8157 44.2118 0.0000 174.9576 34 N 5.3807 8.0425 121.8456 51.0981 42.9212 173.5166 35 I 4.1873 8.2678 123.0527 61.0681 37.6493 176.6520 36 C 4.2325 8.6463 124.3661 59.9275 35.9849 175.7458 37 D 4.3021 8.1777 118.6613 57.2095 40.7741 178.0308 38 C 4.6698 8.1708 114.4593 57.6264 40.4855 173.9161 39 S 4.6427 8.3175 114.3021 57.9441 63.2376 175.0796 40 G 3.9586 8.6403 108.8280 45.8836 0.0000 174.8519 41 G 3.9181 7.3751 109.0056 44.7708 0.0000 171.4339 42 S 5.2552 8.0769 113.4848 55.8241 66.3274 172.8221 43 L 4.0291 8.6994 120.7325 58.2415 41.5548 178.6828 44 T 4.5247 7.7948 103.7913 61.0234 69.6433 173.0104 45 N 5.0649 7.6937 118.4248 51.6025 41.9618 173.2895 46 C 4.6493 8.4598 118.3968 55.7902 35.7768 172.2239 47 P 4.6443 0.0000 0.0000 61.1268 31.6241 174.3659 48 P 4.2693 0.0000 0.0000 64.2878 31.6788 176.9477 49 G 3.9893 8.9254 110.1233 45.1809 0.0000 173.4106 50 T 4.2646 6.7112 108.8259 60.2278 71.2345 174.1606 51 K 4.5980 8.5682 120.7350 54.4003 35.5809 175.4842 52 L 4.6501 9.0545 127.2214 53.6020 42.9263 175.7826 53 A 4.5832 8.6194 129.2773 53.0006 18.8750 177.0783 54 T 4.4185 8.8532 109.3106 61.8672 70.7871 174.5630 55 A 5.0351 8.0009 124.5469 51.0849 22.0206 176.8321 56 S 3.7656 7.1696 117.5096 57.8933 67.1387 175.9626 *58 V 4.4633 8.5043 113.6809 61.6351 32.8002 173.4690 59 A 4.8652 8.1021 119.9343 51.1011 22.3711 175.7302 60 S 4.9855 8.8823 116.9848 58.4731 64.0473 174.2032 61 C 5.3332 9.6248 122.2068 55.0204 44.6482 172.5385 62 Y 4.6563 8.8901 123.7611 57.4666 40.0512 173.6636 63 N 3.6196 8.3205 127.4055 51.0846 39.0906 173.9472 64 P 4.2925 0.0000 0.0000 65.0453 31.8703 177.9057 65 T 3.9441 7.8764 116.6832 65.8275 68.3410 174.9223 66 D 4.6655 7.4547 116.3703 52.1671 40.2190 176.8382 67 G 4.3977 7.6870 107.4562 45.8050 0.0000 173.9414 68 Q 4.2749 7.7755 119.0038 55.2059 30.8154 174.9117 69 S 5.1854 8.2388 117.4012 57.6715 65.0629 172.8206 70 Y 5.1610 9.2030 121.7493 55.9587 41.8450 174.5936 71 L 4.8038 9.2927 125.5971 54.9063 43.5424 175.3820 72 I 4.6275 8.9191 128.0300 59.7609 39.2091 174.7304 73 A 4.3228 8.1522 129.5181 50.0911 19.2613 177.7570 74 Y 4.7636 7.7629 123.5797 57.6284 35.6152 176.3694 75 R 4.3905 7.7180 120.4219 56.3935 32.2006 177.3507 76 D 5.2948 8.8464 122.5778 53.6336 43.6562 174.5313 77 C 5.3639 9.0147 118.3105 55.6350 43.6937 172.6480 78 C 5.8401 8.4649 119.5442 54.7514 44.7630 174.9198 79 G 4.1948 9.1488 107.4756 45.7827 0.0000 173.0328 80 Y 4.8563 7.4077 114.8084 55.3944 41.7975 174.8078 81 N 4.4981 8.6570 121.0231 53.1019 39.7265 175.0216 82 V 3.8751 8.7513 122.1582 61.3423 31.6341 176.2627 83 S 4.1250 8.4261 118.9861 60.1027 62.7158 175.9007 84 G 3.9430 7.6889 106.8044 45.3938 0.0000 173.0758 85 R 4.5454 8.1204 118.2796 55.3965 33.2393 175.4836 86 C 4.4008 8.6401 115.8089 57.5060 37.5413 170.7853 87 P 5.1120 0.0000 0.0000 62.9382 32.5109 178.2323 88 C 5.0589 9.2948 119.6163 55.4992 45.2375 173.3711 89 L 4.8894 8.4650 123.2090 54.1574 43.1802 174.6425 90 N 4.8988 8.5443 123.2454 51.4015 41.6375 175.5088 91 T 4.4097 7.4577 106.7919 61.7872 70.1513 173.0153 92 E 3.9389 7.7539 122.6969 59.0029 28.8602 177.3325 93 G 3.7328 8.7372 111.8939 45.1128 0.0000 171.6205 94 E 4.3223 8.0569 121.6445 55.9984 30.0163 176.2918 95 L 4.7067 8.4564 126.3750 52.2491 45.2163 174.0952 96 P 4.7379 0.0000 0.0000 62.1100 32.3074 178.1199 97 V 3.6482 8.4087 119.8270 64.7060 31.3469 176.8822 98 Y 4.3626 7.8860 116.7804 58.2759 39.0575 175.8266 99 R 4.6218 7.3434 121.7630 54.0267 29.8077 175.0115 100 P 4.5559 0.0000 0.0000 65.7948 31.7781 178.9510 101 E 3.6926 8.2079 115.5822 58.3056 29.5143 177.2750 102 F 5.1085 8.7635 116.2557 56.7566 40.5901 173.7406 103 A 5.3541 8.6009 124.7666 50.3115 19.6333 177.1160 104 N 5.0546 9.2663 119.8257 52.8148 37.7194 175.4142 105 D 4.7244 7.8232 117.5737 54.9576 41.5449 176.7999 106 I 3.4634 7.2808 120.7704 60.6883 37.3447 176.0292 107 I 3.7271 7.7648 125.8636 61.3086 36.5006 176.6142 108 W 4.8023 8.6384 130.4361 55.8819 27.4202 176.7626 109 C 4.8563 7.2081 115.2741 56.4109 37.2985 174.6441 110 F 4.5443 7.4639 119.6026 59.0825 39.0225 175.8829 111 G 4.3732 9.4813 111.8044 46.5295 0.0000 173.8451 112 A 4.5734 7.7907 121.8072 51.5560 18.9006 176.7729 113 E 3.9552 8.7306 120.6228 58.4166 30.0174 177.5185 114 D 4.5524 9.1205 119.9472 54.7985 38.1644 173.5945 115 D 4.4112 7.8836 114.5608 54.9789 38.9177 173.8538 116 A 4.1171 7.6590 122.2958 52.9920 18.5316 178.3613 117 M 4.6874 8.4238 119.9054 54.5554 34.6406 175.6606 118 T 4.3003 7.6381 110.1500 61.3939 70.5414 172.9816 119 Y 4.4924 8.5828 125.1865 57.7286 39.8951 173.9932 120 H 4.7169 7.8260 125.8361 56.7545 32.1371 171.4545 121 C 4.9440 6.1680 109.7032 55.1935 39.4106 171.9727 122 T 5.3523 8.7469 116.2068 61.8012 71.4191 173.8724 123 I 4.5524 8.5408 118.3854 58.8711 40.7884 175.0540 124 S 4.7210 8.4258 116.5236 56.8613 62.1057 173.0711 125 P 4.4327 0.0000 0.0000 62.4484 33.3894 177.2420 126 I 3.9942 8.0717 123.2195 61.7821 37.0965 175.5941 127 V 3.7988 9.2523 124.0593 61.7435 30.8575 179.4698 128 G 3.9570 7.8481 111.6771 46.3482 0.0000 172.2294 129 K 4.4193 8.9043 126.3030 55.6696 33.9224 179.4791 130 A 2.9762 8.7434 119.0393 49.1364 21.1524 177.2374 131 S 4.0362 7.4437 116.8543 58.1148 65.0588 172.6318 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 T 8.17 4.23 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 8 D 8.31 4.51 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.42 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 R 8.02 4.19 0.00 1.84 2.04 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 11 A 7.48 4.22 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.59 3.86 0.00 1.76 1.82 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.58 7.81 13 W 8.81 4.33 0.00 3.31 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.24 4.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 15 P 0.00 3.99 0.00 2.26 2.13 0.00 3.65 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 16 Q 8.77 4.74 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.95 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 17 D 8.63 5.61 0.00 2.61 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.37 4.92 0.00 2.87 2.92 0.00 0.00 6.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.78 4.30 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.95 2.97 1.35 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 -0.01 0.00 0.00 21 Q 7.93 4.17 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 22 A 7.57 4.61 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.90 4.71 0.00 3.13 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.13 4.91 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.07 4.75 0.00 3.46 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.23 4.52 0.00 3.71 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 5.84 3.42 0.00 1.39 1.57 0.00 2.95 0.00 0.00 2.84 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.46 5.16 0.00 3.51 3.39 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.91 2.80 0.00 2.67 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.00 4.43 0.00 3.72 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.40 3.32 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.24 0.91 0.00 0.00 32 D 9.37 4.74 0.00 2.78 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.67 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.04 5.38 0.00 2.75 2.82 0.00 0.00 7.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.27 4.19 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.74 0.99 0.00 0.00 36 C 8.65 4.23 0.00 2.91 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.18 4.30 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.17 4.67 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.32 4.64 0.00 4.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.64 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.38 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.08 5.26 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.70 4.03 0.00 1.65 1.67 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.79 4.52 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 45 N 7.69 5.06 0.00 2.73 2.66 0.00 0.00 7.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.46 4.65 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.64 0.00 1.97 2.10 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 48 P 0.00 4.27 0.00 2.02 1.97 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 49 G 8.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 6.71 4.26 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 51 K 8.57 4.60 0.00 1.63 1.97 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.60 7.81 52 L 9.05 4.65 0.00 1.72 1.53 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.62 4.58 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.85 4.42 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 55 A 8.00 5.04 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.17 3.77 0.00 3.89 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 V 8.50 4.46 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.00 0.00 0.00 59 A 8.10 4.87 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.88 4.99 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 9.62 5.33 0.00 3.25 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.89 4.66 0.00 3.21 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.32 3.62 0.00 1.44 2.13 0.00 0.00 6.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.29 0.00 2.19 2.24 0.00 3.28 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.11 0.00 65 T 7.88 3.94 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 66 D 7.45 4.67 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.69 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.78 4.27 0.00 1.66 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 69 S 8.24 5.19 0.00 3.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.20 5.16 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 9.29 4.80 0.00 1.79 1.60 1.11 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.92 4.63 1.51 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.20 0.14 0.00 0.00 73 A 8.15 4.32 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.76 4.76 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.72 4.39 0.00 1.77 2.00 0.00 3.07 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 76 D 8.85 5.29 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 9.01 5.36 0.00 2.66 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 C 8.46 5.84 0.00 2.79 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 9.15 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.41 4.86 0.00 2.56 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.66 4.50 0.00 2.65 2.74 0.00 0.00 7.01 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.75 3.88 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.15 0.00 0.00 83 S 8.43 4.12 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.69 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.12 4.55 0.00 1.75 1.84 0.00 3.33 0.00 0.00 3.52 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 86 C 8.64 4.40 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 5.11 0.00 2.09 2.07 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 88 C 9.29 5.06 0.00 2.84 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.46 4.89 0.00 1.52 1.50 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.54 4.90 0.00 2.41 2.06 0.00 0.00 6.76 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.46 4.41 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 92 E 7.75 3.94 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 93 G 8.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.06 4.32 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 95 L 8.46 4.71 0.00 1.69 1.42 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.74 0.00 1.72 2.03 0.00 3.29 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 97 V 8.41 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 98 Y 7.89 4.36 0.00 3.14 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.34 4.62 0.00 1.74 2.19 0.00 3.40 0.00 0.00 3.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.53 0.00 100 P 0.00 4.56 0.00 2.55 2.49 0.00 3.80 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 101 E 8.21 3.69 0.00 1.65 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 102 F 8.76 5.11 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.60 5.35 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.27 5.05 0.00 2.76 2.90 0.00 0.00 7.05 8.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.82 4.72 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.28 3.46 0.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.33 -0.54 0.00 0.00 107 I 7.76 3.73 1.66 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.95 0.00 0.00 108 W 8.64 4.80 0.00 3.52 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 7.21 4.86 0.00 2.70 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 7.46 4.54 0.00 3.30 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 9.48 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.79 4.57 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.73 3.96 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 114 D 9.12 4.55 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.88 4.41 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.66 4.12 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 8.42 4.69 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 118 T 7.64 4.30 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 119 Y 8.58 4.49 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 7.83 4.72 0.00 3.26 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.17 4.94 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.75 5.35 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 123 I 8.54 4.55 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 0.89 0.00 0.00 124 S 8.43 4.72 0.00 3.70 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.43 0.00 2.04 2.10 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 126 I 8.07 3.99 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.41 1.10 0.00 0.00 127 V 9.25 3.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.94 0.00 0.00 128 G 7.85 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.90 4.42 0.00 1.75 1.63 0.00 1.32 0.00 0.00 1.27 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.34 7.81 130 A 8.74 2.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.44 4.04 0.00 4.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.